(3-bromophenyl) 2-oxidanylidene-6-(pentanoyloxymethyl)chromene-3-carboxylate

Systemtic Name: (3-bromophenyl) 2-oxidanylidene-6-(pentanoyloxymethyl)chromene-3-carboxylate Openeye Name: (3-bromophenyl) 2-oxo-6-(pentanoyloxymethyl)chromene-3-carboxylate CAS Name: 2-oxo-6-(1-oxopentoxymethyl)-1-benzopyran-3-carboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 2-oxo-6-(pentanoyloxymethyl)chromene-3-carboxylate Traditional Name: 2-keto-6-(valeryloxymethyl)chromene-3-carboxylic acid (3-bromophenyl) ester Formula: C22H19BrO6 MolecularWeight: 459.28666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H19BrO6/c1-2-3-7-20(24)27-13-14-8-9-19-15(10-14)11-18(22(26)29-19)21(25)28-17-6-4-5-16(23)12-17/h4-6,8-12H,2-3,7,13H2,1H3